4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C15H13N3O5S — CID 54676301

IUPAC4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21)
InChIKeyCCKOORANQAQKKV-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.29
Rot. Bonds2

About 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54676301) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54676301
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21)
InChIKeyCCKOORANQAQKKV-UHFFFAOYSA-N
XLogP1.29
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54676301) is 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is CCKOORANQAQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21).
What are the key properties of 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54676301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).